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DY: Dynamik und Statistische Physik

DY 46: Poster

DY 46.34: Poster

Donnerstag, 30. März 2006, 16:00–18:00, P1

Rotational Diffusion under Spatial Restrictions — •Heidrun Gleissberg and Siegfried Hess — Institut für Theoretische Physik, Technische Universität Berlin, D-10623, Germany

In Order to study the influence of confining walls on the rotational dynamics of a molecule with emphasis on the rotational diffusion coefficient a simple model is proposed.

In particular, two approaches are considered. The first one employs a recently introduced time reversible thermostat for rot ational motion [1]. The other utilizes the irreversible Langevin equation.

Priority is given to the comparision of numerical results yielded by these strategies for a molecule in a channel.

[1] S.Hess, Z. Naturforsch. 58a, 377 (2003)